4-aminobenzene-1,3-disulfonyl chloride

C6H5Cl2NO4S2 — CID 154087966

IUPAC4-aminobenzene-1,3-disulfonyl chloride
SMILESNc1ccc(S(=O)(=O)Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H5Cl2NO4S2/c7-14(10,11)4-1-2-5(9)6(3-4)15(8,12)13/h1-3H,9H2
InChIKeyPRLCBURYSSUZGM-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.12
Rot. Bonds2

About 4-aminobenzene-1,3-disulfonyl chloride

4-aminobenzene-1,3-disulfonyl chloride (PubChem CID 154087966) has the molecular formula C6H5Cl2NO4S2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 4-aminobenzene-1,3-disulfonyl chloride.

Molecular Properties

Compound Name4-aminobenzene-1,3-disulfonyl chloride
PubChem CID154087966
Molecular FormulaC6H5Cl2NO4S2
Molecular Weight290.15 g/mol
Exact Mass288.90
IUPAC Name4-aminobenzene-1,3-disulfonyl chloride
SMILESNc1ccc(S(=O)(=O)Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H5Cl2NO4S2/c7-14(10,11)4-1-2-5(9)6(3-4)15(8,12)13/h1-3H,9H2
InChIKeyPRLCBURYSSUZGM-UHFFFAOYSA-N
XLogP1.12
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

naphthalene-2,3,6-trisulfonyl chloride
CID 87775954
2-amino-4,5-dichlorobenzenesulfonyl chloride
CID 12637874
naphthalene-1,3,5,7-tetrasulfonyl chloride
CID 12899707
4-chloro-3-methylsulfonylbenzenesulfonyl chloride
CID 54596108
sodium 2-amino-5-sulfobenzenesulfonate
CID 53470623
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688
2-aminobenzene-1,4-disulfonic acid;4-aminobenzene-1,3-disulfonic acid
CID 88725351
4,5-dichlorobenzene-1,3-disulfonyl chloride
CID 14195249
4-methyl-3-(4-methylphenyl)sulfonylbenzenesulfonyl chloride
CID 54521473
thianthrene-2,8-disulfonyl chloride
CID 19906721
lithium 2,5-diaminobenzenesulfonate
CID 101305300
dibenzofuran-3,7-disulfonyl chloride
CID 154087525

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzene-1,3-disulfonyl chloride?
The IUPAC name of 4-aminobenzene-1,3-disulfonyl chloride (CID 154087966) is 4-aminobenzene-1,3-disulfonyl chloride.
What is the SMILES notation for 4-aminobenzene-1,3-disulfonyl chloride?
The canonical SMILES for 4-aminobenzene-1,3-disulfonyl chloride is Nc1ccc(S(=O)(=O)Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 4-aminobenzene-1,3-disulfonyl chloride?
The InChIKey is PRLCBURYSSUZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO4S2/c7-14(10,11)4-1-2-5(9)6(3-4)15(8,12)13/h1-3H,9H2.
What are the key properties of 4-aminobenzene-1,3-disulfonyl chloride?
4-aminobenzene-1,3-disulfonyl chloride has a molecular weight of 290.15 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzene-1,3-disulfonyl chloride is sourced from PubChem (CID 154087966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).